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. 2020 Sep 15;76(Pt 10):464–468. doi: 10.1107/S2053230X20011127

Table 3. Data collection and processing.

Diffraction source XRD2, Elettra
Wavelength (Å) 0.9784
Temperature (K) 100
Detector PILATUS 6M
Space group C121
a, b, c (Å) 143.98, 32.62, 95.62
α, β, γ (°) 90, 94.68, 90
Oscillation range (°) 1.0
No. of images 380
Matthews coefficient (Å3 Da−1) 2.08–3.01
Solvent content (%) 38–59
Resolution range (Å) 47.65–1.98 (2.02–1.98)
Total No. of reflections 171270 (11107)
No. of unique reflections 30666 (2067)
Multiplicity 5.6 (5.4)
I/σ(I)〉 9.9 (2.0)
Mosaicity (°) 0.89
Completeness (%) 97.3 (92.9)
R merge 0.079 (0.647)

R merge(I) = Inline graphic Inline graphic, where 〈I(hkl)〉 is the average intensity of the i observations of reflection hkl.